Open AccessTetra‐ n ‐butylammonium bromide–water (1/38)
Author(s) -
Shimada Wataru,
Shiro Motoo,
Kondo Hidemasa,
Takeya Satoshi,
Oyama Hiroyuki,
Ebinuma Takao,
Narita Hideo
Publication year - 2005
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
eISSN - 1600-5759
pISSN - 0108-2701
DOI - 10.1107/s0108270104032743
Subject(s) - dodecahedron , tetra , bromide , crystallography , molecule , hydrate , chemistry , clathrate hydrate , cage , symmetry (geometry) , crystal structure , crystal (programming language) , inorganic chemistry , medicinal chemistry , geometry , mathematics , organic chemistry , combinatorics , computer science , programming language
Tetra‐ n ‐butylammonium bromide forms the title semi‐clathrate hydrate crystal, C 16 H 36 N + ·Br − ·38H 2 O, under atmospheric pressure. The cation and anion lie at sites with mm symmetry and seven water molecules lie at sites with m symmetry in space group Pmma . Br − anions construct a cage structure with the water molecules. Tetra‐ n ‐butylammonium cations are disordered and are located at the centre of four cages, viz . two tetrakaidecahedra and two pentakaidecahedra in ideal cage structures, while all the dodecahedral cages are empty.